Geometry & MOs

Info

ID:	209929
PubChem CID:	80739800
Reduced:	BrNO2S2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	59.73
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(5-bromo-2-methoxyphenyl)-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C2=CC3=C(S2)C=CS3)Br)[N+](=O)[O-]

DOS

IR

Vibrations